ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate

C10H11NO2S — CID 66637602

IUPACethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)C1=C(N)SC2C=CC=C12
InChIInChI=1S/C10H11NO2S/c1-2-13-10(12)8-6-4-3-5-7(6)14-9(8)11/h3-5,7H,2,11H2,1H3
InChIKeyCLNQCURZSZBCEV-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.33
Rot. Bonds2

About ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate

ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 66637602) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate
PubChem CID66637602
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Nameethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)C1=C(N)SC2C=CC=C12
InChIInChI=1S/C10H11NO2S/c1-2-13-10(12)8-6-4-3-5-7(6)14-9(8)11/h3-5,7H,2,11H2,1H3
InChIKeyCLNQCURZSZBCEV-UHFFFAOYSA-N
XLogP1.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate (CID 66637602) is ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate is CCOC(=O)C1=C(N)SC2C=CC=C12.
What is the InChIKey of ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is CLNQCURZSZBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-2-13-10(12)8-6-4-3-5-7(6)14-9(8)11/h3-5,7H,2,11H2,1H3.
What are the key properties of ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate?
ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 209.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6aH-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 66637602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).